SCHEMBL8554191

SCHEMBL8554191

[CH2]Cc1cccnc1Cc1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FLT1 P17948 3/20 0.37
▸ KDR P35968 3/20 0.37
▸ CYP11B1 P15538 7/20 0.36
▸ CYP11B2 P19099 7/20 0.36
▸ LTA4H P09960 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ CYP17A1 P05093 5/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ CYP19A1 P11511 3/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3974907 0.74 ADRA2C (0.43) FLT1KDRCYP11B1CYP11B2LTA4H
SCHEMBL2232473 0.73 MET (0.50) CYP11B1CYP11B2PAX8HSP90AA1
Ammonia Solution, Strong SCHEMBL28590384 0.72 MET (0.49) CYP11B1CYP11B2PAX8HSP90AA1
SCHEMBL30022256 0.72 MET (0.49) CYP11B1CYP11B2PAX8HSP90AA1
SCHEMBL8698792 0.71 KDM4E (0.57) CYP11B1CYP11B2PAX8ABCB1
SCHEMBL4800049 0.69 HTR2A (0.44) LTA4HPAX8LOXL2HSP90AA1
SCHEMBL8532742 0.69 KEAP1 (0.53) PAX8HSP90AA1
SCHEMBL5110066 0.69 PAX8 (0.49) PAX8HSP90AA1
SCHEMBL28023498 0.69 HSP90AA1 (0.46) PAX8HSP90AA1
SCHEMBL38230 0.69 MET (0.40) PAX8ABCB1HSP90AA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871619-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1998-10-21 — — EP disclosed
WO-1997024343-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-07-10 — — WO disclosed
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